2-cyclopropyl-6-(5-fluoro-3-pyridinyl)-1H-pyrimidine-4-thione

C12H10FN3S — CID 106515800

IUPAC2-cyclopropyl-6-(5-fluoro-3-pyridinyl)-1H-pyrimidine-4-thione
SMILESFc1cncc(-c2cc(=S)nc(C3CC3)[nH]2)c1
InChIInChI=1S/C12H10FN3S/c13-9-3-8(5-14-6-9)10-4-11(17)16-12(15-10)7-1-2-7/h3-7H,1-2H2,(H,15,16,17)
InChIKeyLFVRWNPPCAORPI-UHFFFAOYSA-N
MW247.30 g/mol
LogP3.22
Rot. Bonds2

About 2-cyclopropyl-6-(5-fluoro-3-pyridinyl)-1H-pyrimidine-4-thione

2-cyclopropyl-6-(5-fluoro-3-pyridinyl)-1H-pyrimidine-4-thione (PubChem CID 106515800) has the molecular formula C12H10FN3S and a molecular weight of 247.30 g/mol. Its IUPAC name is 2-cyclopropyl-6-(5-fluoro-3-pyridinyl)-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name2-cyclopropyl-6-(5-fluoro-3-pyridinyl)-1H-pyrimidine-4-thione
PubChem CID106515800
Molecular FormulaC12H10FN3S
Molecular Weight247.30 g/mol
Exact Mass247.06
IUPAC Name2-cyclopropyl-6-(5-fluoro-3-pyridinyl)-1H-pyrimidine-4-thione
SMILESFc1cncc(-c2cc(=S)nc(C3CC3)[nH]2)c1
InChIInChI=1S/C12H10FN3S/c13-9-3-8(5-14-6-9)10-4-11(17)16-12(15-10)7-1-2-7/h3-7H,1-2H2,(H,15,16,17)
InChIKeyLFVRWNPPCAORPI-UHFFFAOYSA-N
XLogP3.22
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

2-cyclopropyl-6-(3-fluoro-5-methylphenyl)-1H-pyrimidine-4-thione
CID 106519261
2-cyclopropyl-6-(5-methoxy-3-pyridinyl)-1H-pyrimidine-4-thione
CID 106520603
6-(5-fluoro-3-pyridinyl)-2-(methoxymethyl)-1H-pyrimidine-4-thione
CID 106515818
2-(4-methylcyclohexyl)-6-phenyl-1H-pyrimidine-4-thione
CID 106474873
2-cyclopropyl-6-[4-(dimethylamino)phenyl]-1H-pyrimidine-4-thione
CID 106513952
2-cyclopropyl-6-(4-methyl-3-pyridinyl)-1H-pyrimidine-4-thione
CID 106518933
2-cyclopropyl-6-(2,4,6-trimethylphenyl)-1H-pyrimidine-4-thione
CID 106520335
2-cycloheptyl-6-(1-methylpyrazol-4-yl)-1H-pyrimidine-4-thione
CID 106716429
2-cyclopropyl-6-(3-ethoxyphenyl)-1H-pyrimidine-4-thione
CID 106519885
2-methyl-6-(5-methyl-3-pyridinyl)-1H-pyrimidine-4-thione
CID 106520464
6-(5-methyl-3-pyridinyl)-2-(trifluoromethyl)-1H-pyrimidine-4-thione
CID 106776967
6-(1-benzothiophen-7-yl)-2-cyclopropyl-1H-pyrimidine-4-thione
CID 106519826

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-6-(5-fluoro-3-pyridinyl)-1H-pyrimidine-4-thione?
The IUPAC name of 2-cyclopropyl-6-(5-fluoro-3-pyridinyl)-1H-pyrimidine-4-thione (CID 106515800) is 2-cyclopropyl-6-(5-fluoro-3-pyridinyl)-1H-pyrimidine-4-thione.
What is the SMILES notation for 2-cyclopropyl-6-(5-fluoro-3-pyridinyl)-1H-pyrimidine-4-thione?
The canonical SMILES for 2-cyclopropyl-6-(5-fluoro-3-pyridinyl)-1H-pyrimidine-4-thione is Fc1cncc(-c2cc(=S)nc(C3CC3)[nH]2)c1.
What is the InChIKey of 2-cyclopropyl-6-(5-fluoro-3-pyridinyl)-1H-pyrimidine-4-thione?
The InChIKey is LFVRWNPPCAORPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FN3S/c13-9-3-8(5-14-6-9)10-4-11(17)16-12(15-10)7-1-2-7/h3-7H,1-2H2,(H,15,16,17).
What are the key properties of 2-cyclopropyl-6-(5-fluoro-3-pyridinyl)-1H-pyrimidine-4-thione?
2-cyclopropyl-6-(5-fluoro-3-pyridinyl)-1H-pyrimidine-4-thione has a molecular weight of 247.30 g/mol, XLogP of 3.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-6-(5-fluoro-3-pyridinyl)-1H-pyrimidine-4-thione is sourced from PubChem (CID 106515800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).